tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate

C9H16N4O2 — CID 146680472

IUPACtert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate
SMILESCn1nc(NC(=O)OC(C)(C)C)cc1N
InChIInChI=1S/C9H16N4O2/c1-9(2,3)15-8(14)11-7-5-6(10)13(4)12-7/h5H,10H2,1-4H3,(H,11,12,14)
InChIKeyOZFJXZMYQQRIFF-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.35
Rot. Bonds1

About tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate

tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate (PubChem CID 146680472) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate
PubChem CID146680472
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Nametert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate
SMILESCn1nc(NC(=O)OC(C)(C)C)cc1N
InChIInChI=1S/C9H16N4O2/c1-9(2,3)15-8(14)11-7-5-6(10)13(4)12-7/h5H,10H2,1-4H3,(H,11,12,14)
InChIKeyOZFJXZMYQQRIFF-UHFFFAOYSA-N
XLogP1.35
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylate
CID 14488339
tert-butyl N-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]carbamate
CID 117465922
tert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate
CID 165457492
N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide
CID 162759817
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate
CID 156696295
tert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate
CID 101332601
tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate
CID 171682426
tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 58970574
tert-butyl N-(5-nitro-1-propan-2-ylpyrazol-3-yl)carbamate
CID 163333229
tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
CID 135361965
tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
CID 135132369

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate?
The IUPAC name of tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate (CID 146680472) is tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate is Cn1nc(NC(=O)OC(C)(C)C)cc1N.
What is the InChIKey of tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate?
The InChIKey is OZFJXZMYQQRIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-9(2,3)15-8(14)11-7-5-6(10)13(4)12-7/h5H,10H2,1-4H3,(H,11,12,14).
What are the key properties of tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate?
tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate has a molecular weight of 212.25 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate is sourced from PubChem (CID 146680472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).